Basic information
- CAS
1817-49-8- Standard SMILES
OC(C#Cc1ccccc1)c1ccccc1- InChIKey
DZZWMODRWHHWFR-UHFFFAOYSA-N- Molecular formula
- C15H12O
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.088815
Names & identifiers
- Preferred name
- 1,3-Diphenyl-2-propyn-1-ol
- IUPAC
- 1,3-diphenylprop-2-yn-1-ol
- English name
- 1,3-DIPHENYL-2-PROPYN-1-OL
- Molecular formula
- C15H12O
- Molecular weight
- 208.26
Names & synonyms
1,3-diphenyl-2-propyn-1-olRefChem:414969625-769-51817-49-81,3-diphenylprop-2-yn-1-ol1,3-Diphenylpropargyl alcoholBenzenemethanol, a-(2-phenylethynyl)-1,3-diphenyl-prop-2-yn-1-olMFCD06654198NSC 167103NSC167103Benzenemethanol, alpha-(2-phenylethynyl)-
Show more names
1,3-Diphenyl-1-propyne-3-ol1-phenyl-3-phenyl-propyn-3-ol1,3-Diphenyl-2-propyn-1-ol 90%1,3-Diphenyl-2-propynyl alcoholα-(Phenylethynyl)benzenemethanol1,3-Diphenyl-2-propyn-1-ol, tech. 90%
13-Diphenyl-2-propyn-1-olSCHEMBL2801832DTXSID80304730DZZWMODRWHHWFR-UHFFFAOYSA-NAKOS0305848721,3-Diphenyl-2-propyn-1-ol, 90%NSC-167103alpha-[(phenyl)ethynyl]-benzenemethanol
Database identifiers
- CAS
1817-49-8- PubChem CID
- 296659
- DTXSID
DTXSID80304730- EC Number
- 625-769-5
- Nikkaji
- J401.616E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 180 °C · 180 °C(Press: 5 Torr)
- Density
- 1.099 g/mL · 1.099 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.618
- Flash point
- 110 °C · 110 °C
- pka
- 12.12 · 12.12±0.20(Predicted)
- form
- solid
- InChI
- 1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-16H
- InChIKey
- DZZWMODRWHHWFR-UHFFFAOYSA-N
- SMILES
- OC(C#Cc1ccccc1)c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- risk_code
- 36-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-61
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses1,3-Diphenyl-2-propyn-1-ol is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers23 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州盖科科技有限公司0371-63336364 17344886665 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都安普生医药科技有限公司13568817957 · [email protected]
Related reactions
1 records
Compound notes
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